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Title Glass Transition Temperature of Cross-Linked Epoxy Polymers: a Molecular Dynamics Study
Authors Arab, B.
Shokuhfar, A.
Ebrahimi-Nejad, S.
ORCID
Keywords Cross linking
Epoxy polymers
Glass transition temperature
Molecular dynamics
Type Conference Papers
Date of Issue 2012
URI http://essuir.sumdu.edu.ua/handle/123456789/35102
Publisher Sumy State University
License
Citation Arab, B. Glass Transition Temperature of Cross-Linked Epoxy Polymers: a Molecular Dynamics Study [Текст] / B. Arab, A. Shokuhfar, S. Ebrahimi-Nejad // Nanomaterials: Applications & Properties (NAP-2012) : 2-nd International conference, Alushta, the Crimea, September 17-22, 2012 / Edited by: A. Pogrebnjak. - Sumy : Sumy State University, 2012. - V.1, No1. - 01NDLCN11
Abstract Recently, epoxy polymers have been used in different applications and research fields due to their superior properties. In this study, the classical molecular dynamics (MD) was used to simulate formation of the epoxy polymer from cross linking of the EPON 828 with DETA curing agent, and calculate the glass transition temperature (Tg) of the material. A series of MD simulations were independently carried out on the cross-linked epoxy polymer in a range of temperatures from 600 K down to 250 K, and the density of the materials was calculated at the end of each run. Through the linear fitting between temperature and density above and below the glass transition temperature, Tg was estimated. The glass transition temperature of the pure DGEBA were also estimated through the same procedure and compared with those of the cross-linked polymer. Molecular simulations revealed significant increase in Tg of the cross-linked epoxy polymer as a result of newly created covalent bonds between individual chains. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35102
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